SCHEMBL4171729

SCHEMBL4171729

CCc1nn(C(C)(C)C)c(N)c1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIPK2 O43353 1/20 0.31
SRC P12931 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13573958 0.79 GAA (0.39) GAA
SCHEMBL23401364 0.76 GAA (0.37) GAA
SCHEMBL4172262 0.74 HPGD (0.52) HPGDSMN1; SMN2RIPK2
SCHEMBL12413760 0.73 GAA (0.35) GAA
SCHEMBL17045462 0.72 GAA (0.96) GAA
SCHEMBL4171724 0.72 HPGD (0.46) GAAHPGDSMN1; SMN2RIPK2
SCHEMBL1799564 0.69 HPGD (0.40) HPGDSMN1; SMN2RIPK2SRC
SCHEMBL23400819 0.68
SCHEMBL1800877 0.67 HPGD (0.35) HPGDSMN1; SMN2RIPK2SRC
SCHEMBL33722 0.66 SMN1; SMN2 (0.52) GAAHPGDSMN1; SMN2RIPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101437810-A Quinazoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101432276-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-13 CN disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS GAA 2226/4885HPGD 1289/4885SMN1; SMN2 1959/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 GAA 2156/4885HPGD 1385/4885SMN1; SMN2 2619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.